WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556066
CAS#: 1815613-42-3
Description: BMS-986176, also known as LX9211, is a highly selective, CNS penetrant, potent AAK1 inhibitor from a novel class of bi(hetero)aryl ethers. BMS-986176/LX9211 (34) showed excellent efficacy in two rodent neuropathic pain models and excellent central nervous system (CNS) penetration and target engagement at the spinal cord with an average brain to plasma ratio of 20 in rat. The compound exhibited favorable physicochemical and pharmacokinetic properties, had an acceptable preclinical toxicity profile, and was chosen for clinical trials.
MedKoo Cat#: 556066
Name: BMS-986176
CAS#: 1815613-42-3
Chemical Formula: C19H23F4N3O
Exact Mass: 385.1777
Molecular Weight: 385.4066
Elemental Analysis: C, 59.21; H, 6.02; F, 19.72; N, 10.90; O, 4.15
Related CAS #: 1815613-42-3
Synonym: LX9211; LX-9211; LX 9211; BMS-986176; BMS 986176; BMS986176; AAK1-IN-1;
IUPAC/Chemical Name: ( S)-1-((2',6-Bis(difluoromethyl)-[2,4'-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amin
InChi Key: RKAHOQATMSONTM-IBGZPJMESA-N
InChi Code: InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1
SMILES Code: CC(C)C[C@@](N)(C)COC1=C(C(F)F)N=C(C2=CC(C(F)F)=NC=C2)C=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
| Biological target: | BMS-986176 (LX-9211) is a highly selective, brain-penetrant, potent AAK1 (adaptor associated kinase 1) inhibitor with an IC50 of 2 nM. |
| In vitro activity: | N/A |
| In vivo activity: | N/A |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 220.0 | 570.83 |
The following data is based on the product molecular weight 385.4066 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | N/A |
| In vitro protocol: | N/A |
| In vivo protocol: | N/A |
1: Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A, Bourin C, Gulianello M, Lippy J, Nara S, Maishal TK, Thiyagarajan K, Jalagam P, Pattipati SN, Dandapani K, Dokania M, Vattikundala P, Sharma V, Elavazhagan S, Verma MK, Das ML, Wagh S, Balakrishnan A, Johnson BM, Santone KS, Thalody G, Denton R, Saminathan H, Holenarsipur VK, Kumar A, Rao A, Putlur SP, Sarvasiddhi SK, Shankar G, Louis JV, Ramarao M, Conway CM, Li YW, Pieschl R, Tian Y, Hong Y, Ditta J, Mathur A, Li J, Smith D, Pawluczyk J, Sun D, Yip S, Wu DR, Vetrichelvan M, Gupta A, Wilson A, Gopinathan S, Wason S, Bristow L, Albright CF, Bronson JJ, Macor JE, Dzierba CD. Discovery of (S)-1-((2',6-Bis(difluoromethyl)-[2,4' -bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine (BMS-986176/LX-9211): A Highly Selective, CNS Penetrable, and Orally Active Adaptor Protein-2 Associated Kinase 1 Inhibitor in Clinical Trials for the Treatment of Neuropathic Pain. J Med Chem. 2022 Mar 8. doi: 10.1021/acs.jmedchem.1c02131. Epub ahead of print. PMID: 35257579.
2: Bundrant L, Hunt TL, Banks P, Gopinathan S, Boehm KA, Kassler-Taub K, Tyle P, Wilson A, Warner C, Wason S. Results of two Phase 1, Randomized, Double-blind, Placebo-controlled, Studies (Ascending Single-dose and Multiple-dose Studies) to Determine the Safety, Tolerability, and Pharmacokinetics of Orally Administered LX9211 in Healthy Participants. Clin Ther. 2021 Jun;43(6):1029-1050. doi: 10.1016/j.clinthera.2021.04.014. Epub 2021 Jun 6. PMID: 34108079.
